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MMsINC code: MMs03071646

Type: Neutral
Formula: C₁₇H₁₀ClF₂NO₃

SMILES:

Clc1cc(F)c2nc(cc(c2c1)C(O)=O)-c1cc(F)c(OC)cc1

InChI:

InChI=1/C17H10ClF2NO3/c1-24-15-3-2-8(4-12(15)19)14-7-11(17(22)23)10-5-9(18)6-13(20)16(10)21-14/h2-7H,1H3,(H,22,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=90.3244 kcal/mol

Physical Properties
Molecular Weight: 349.72 g/mol	logS: -5.71263	SlogP: 4.5402	Reactive groups: 0

Topological Properties
Globularity: 0.00327154	Sterimol/B1: 2.37129	Sterimol/B2: 2.37893	Sterimol/B3: 4.33584
Sterimol/B4: 6.5296	Sterimol/L: 17.3013

Surface and Volume Properties
Accessible surface: 538.692	Positive charged surface: 257.059	Negative charged surface: 270.261	Volume: 283.25
Hydrophobic surface: 422.304	Hydrophilic surface: 116.388

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 4	Acid groups: 0	Basic groups: 0
Chiral centers: 0

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules

MMs03071647
PUBCHEM-ZINC03757090